铁磁金属、半金属界面轻元素修饰特性及其对磁性隧道结输运特性影响的"自能"修正理论研究

项目名称： 铁磁金属、半金属界面轻元素修饰特性及其对磁性隧道结输运特性影响的"自能"修正理论研究

项目编号： No.U1304518

项目类型： 联合基金项目

立项/批准年度： 2014

项目学科： 一般工业技术

项目作者： 王天兴

作者单位： 河南师范大学

项目金额： 30万元

中文摘要： 铁磁金属及半金属在自旋输运相关的电子器件中有非常广阔的应用前景，而在这些器件中，铁磁金属及半金属界面在许多情况下起着决定性的作用。对于其中之一的典型代表：铁磁金属/MgO/铁磁金属隧道结；研究表明，在磁电阻及其电压依赖关系等方面，其实验结果与理论预测间还存在很大偏差，而其中铁磁金属界面扮演着至关重要的角色，其内在机制尚待澄清。本项目基于第一性原理与非平衡格林函数方法，采用“自能”修正赝势，以典型的铁磁金属及半金属界面轻元素修饰为对象，以MgO基隧道结为载体，通过对铁磁金属及半金属界面轻元素修饰的动力学行为，界面修饰前后结构的变化、体系的电荷、磁矩的静态分布、体系对于外加电场的动态响应以及输运特性的变化等方面进行系统而全面的研究，从而对于铁磁金属及半金属界面的特性及其对磁性隧道结输运相关特性的影响得到全面、深入、细致的理解，并为物理实验和器件应用提供有价值的理论参考依据。

中文关键词： 自旋电子学；材料；器件；界面；输运

英文摘要： Ferromagnetic metal (FM) and half metal have very broad applications in spin-transport devices, in which the interface is usually the key to device behaviors. FM/Insulator/FM magnetic tunnel junction (MTJ) has been paid much attention and extensively studied for its important application in magnetic reader and MRAM, especially for MgO based systems like FM/MgO/FM. But, presently, there is still a big difference between experimental result and theoretical prediction in its transportation behavior, for example, the I-V behavior and bias-depended magnetic resistance, in which the interface of ferromagnetic metal or half metal is regarded as the key to this problem. But the clear and detailed description of its mechanism is still lack. This project will focus on the MgO based MTJ with different ferromagnetic metal or half metal interfaces, especially that with the ferromagnetic metal interface modified by light elements. Based on the newly developed “self energy” modified pseudo potential method, we will use first principle and NEGF method to check the role played by ferromagnetic metal and half metal interface in spintronics for device applications and optimization. Aspects of this project are mainly related to the stability and dynamic behavior of the structure of the ferromagnetic metal and half metal interface w

英文关键词： Spintronics；Material；Device；interface；Transpot